5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide

C13H14FN3O2S — CID 58335257

IUPAC5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-13(2,19)6-3-4-7(8(14)5-6)12-17-9(10(15)18)11(16)20-12/h3-5,19H,16H2,1-2H3,(H2,15,18)
InChIKeyOOGPXHSQGVKJJX-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide

5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 58335257) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID58335257
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-13(2,19)6-3-4-7(8(14)5-6)12-17-9(10(15)18)11(16)20-12/h3-5,19H,16H2,1-2H3,(H2,15,18)
InChIKeyOOGPXHSQGVKJJX-UHFFFAOYSA-N
XLogP1.86
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 58335257) is 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)c(F)c1.
What is the InChIKey of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OOGPXHSQGVKJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-13(2,19)6-3-4-7(8(14)5-6)12-17-9(10(15)18)11(16)20-12/h3-5,19H,16H2,1-2H3,(H2,15,18).
What are the key properties of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58335257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).